| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:29 UTC |
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| Update Date | 2025-03-25 00:59:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238939 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO6 |
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| Molecular Mass | 203.043 |
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| SMILES | O=CNC(CCC(=O)O)C(=O)C(=O)O |
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| InChI Key | OAUBLGMEVAKTJD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesamino fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxamide groupalpha-hydroxy ketonecarboxylic acid derivativeamino fatty acidketonesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-keto aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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